[gmx-users] RMDS calculation

[Tsjerk Wassenaar]

Hi Valerio,

Check the help for both tools. That explains it all.
Oh, and you're not correct ;)

Cheers,

Tsjerk

On Mon, Dec 5, 2011 at 4:42 PM,  <vferrario at units.it> wrote:
> Dear all,
>
> I need to calculate the RMSD of a protein during time. So that I've
> calculated the trajectory; for the calculation which tool should I use?
> g_rms or g_rmsdist ? Which is the difference between these two tools? If I'm
> right the main difference is that with g_rms the structure at the time t is
> superimposed to the reference structure before calculate the RMSD, while
> with g_rmsdist the RMSD is calculated without any superimposition, am I
> correct?
>
> Valerio
>
> ----------------------------------------------------------------
> This message was sent using IMP, the Internet Messaging Program.
>
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use thewww interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists



-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands